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20S Proteasome-IN-4

CAT: 0931-T62255-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62255-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2827061-47-0
Target
Others, Parasite, Proteasome
Related Pathways
Others, Ubiquitination, Microbiology/Virology, Proteases/Proteasome
Bioactivity
20S Proteasome-IN-4 (Compound 7) is an orally active inhibitor of the 20S proteasome, selectively targeting the parasite form and demonstrating brain penetration capabilities. It exhibits a potent IC50 value of 6.3 nM against the T. b. brucei 20S proteasome, making it suitable for human African trypanosomiasis (HAT) research [1].
Smiles
N(C=1C2=C(N=C(C(NC[C@H](CO)OC)=O)C1)C=CC(Cl)=C2)C3=C(F)C(F)=CC=C3
Molecular Formula
C20H18ClF2N3O3
Molecular Weight
421.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

20S Proteasome-IN-4
CAS Number2827061-47-0
PubChem CID165412721
IUPAC Name6-chloro-4-(2,3-difluoroanilino)-N-[(2R)-3-hydroxy-2-methoxypropyl]quinoline-2-carboxamide
Molecular FormulaC20H18ClF2N3O3
Molecular Weight421.8
XLogP3.4
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity547
SMILES
CO[C@H](CNC(=O)C1=NC2=C(C=C(C=C2)Cl)C(=C1)NC3=C(C(=CC=C3)F)F)CO
InChI
InChI=1S/C20H18ClF2N3O3/c1-29-12(10-27)9-24-20(28)18-8-17(13-7-11(21)5-6-15(13)25-18)26-16-4-2-3-14(22)19(16)23/h2-8,12,27H,9-10H2,1H3,(H,24,28)(H,25,26)/t12-/m1/s1
InChIKey
NTOVJWIULULGGI-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of 20S Proteasome-IN-4
CAS: 2827061-47-0
CID: 165412721
Formula: C20H18ClF2N3O3
MW: 421.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.8
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass421.1004755
Monoisotopic Mass421.1004755
Topological Polar Surface Area83.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-144369Proteasome-IN-4
MBS580494320S Proteasome-IN-4
sc-27129720S Proteasome α4 (H-4)
sc-271297 PE20S Proteasome α4 (H-4) PE
sc-271297 HRP20S Proteasome α4 (H-4) HRP
sc-271297 AC20S Proteasome α4 (H-4) AC
sc-271297 FITC20S Proteasome α4 (H-4) FITC
abx261525-01Proteasome Assembly Chaperone 4 Protein
sc-62880-PR20S Proteasome α4 (h) -PR
sc-37714820S Proteasome α2 (B-4)

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